| SpectraBase Compound ID | 2yuGTPtIrto |
|---|---|
| InChI | InChI=1S/C12H14N4/c13-10-11-4-6-12(7-5-11)14-15-16-8-2-1-3-9-16/h4-7H,1-3,8-9H2/b15-14+ |
| InChIKey | KKJZINRZBJBSHU-CCEZHUSRSA-N |
| Mol Weight | 214.27 g/mol |
| Molecular Formula | C12H14N4 |
| Exact Mass | 214.121846 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FNWWqiHuY24 |
|---|---|
| Name | 1-(4-Cyanophenyl)-3,3-pentamethylenetriazine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.121846467 u |
| Formula | C12H14N4 |
| InChI | InChI=1S/C12H14N4/c13-10-11-4-6-12(7-5-11)14-15-16-8-2-1-3-9-16/h4-7H,1-3,8-9H2/b15-14+ |
| InChIKey | KKJZINRZBJBSHU-CCEZHUSRSA-N |
| Molecular Weight | 214.272 g/mol |
| SMILES | C1N(\N=N\C2=CC=C(C#N)C=C2)CCCC1 |